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4-nitro-2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyliminomethyl]phenolate
4-nitro-2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyliminomethyl]phenolate
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]
Isomeric SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]
InChI
InChI=1S/C16H13F3N4O5/c17-16(18,19)11-1-3-13(14(8-11)23(27)28)21-6-5-20-9-10-7-12(22(25)26)2-4-15(10)24/h1-4,7-9,21,24H,5-6H2/p-1
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